Compound Detail
CHEMBL4203881
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Basic Information
| ChEMBL ID | CHEMBL4203881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEADRWVIFHOSGN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
462.3
MW (Da)
3.90
ALogP
5
HBA
0
HBD
70.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL5774 | IC50 | 9.74 | 9.74 | 0.2 | 1 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 8.04 | 8.04 | 9.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 0.18 | nM | 9.74 | Inhibition of mouse MAGL | 38428273 |
| Monoglyceride lipase | IC50 | = | 9.1 | nM | 8.04 | Inhibition of human recombinant MAGL expressed in human HEK293T cells by gel-bas... | 33766770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27766867 | 10.1021/acs.jmedchem.6b00538 | Monoglyceride lipase | 1 |
| 32429662 | 10.1021/acs.jmedchem.9b02137 | Monoglyceride lipase | 1 |
| 33766770 | 10.1016/j.bmcl.2021.127986 | Monoglyceride lipase | 1 |
| 34569803 | 10.1021/acs.jmedchem.1c00747 | Monoglyceride lipase | 1 |
| 38428273 | 10.1016/j.ejmech.2024.116285 | Monoglyceride lipase | 1 |
Data from ChEMBL 36 via Core Engine